SCHEMBL29923665

SCHEMBL29923665

COc1cc(C(=O)N(C)C)c2ncccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.52
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 7/20 0.51
CASP7 P55210 2/20 0.49
CASP6 P55212 2/20 0.49
CASP8 Q14790 2/20 0.49
NSD2 O96028 1/20 0.49
CASP3 P42574 1/20 0.49
CASP9 P55211 1/20 0.49
HTT P42858 1/20 0.48
EGLN1 Q9GZT9 2/20 0.47
CYP1A2 P05177 1/20 0.47
TDP1 Q9NUW8 3/20 0.46
SLC40A1 Q9NP59 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAPT P10636 3/20 0.45
TP53 P04637 2/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11804278 0.84 NSD2 (0.58) KMT2AALDH1A1MEN1CASP7CASP6
SCHEMBL29923698 0.83 PARP1 (0.58) KMT2AALDH1A1MEN1CASP7CASP6
SCHEMBL20515224 0.83 PARP1 (0.58) KMT2AALDH1A1MEN1CASP7CASP6
SCHEMBL30134451 0.81 KMT2A (0.58) KMT2AALDH1A1MEN1CASP7CASP6
SCHEMBL29923746 0.78 KMT2A (0.56) KMT2AALDH1A1MEN1CASP7CASP6
SCHEMBL4961749 0.77 PARP1 (0.62) KMT2AALDH1A1MEN1CASP3HTT
SCHEMBL6071988 0.76 MAPT (0.60) KMT2AALDH1A1MEN1CASP6HTT
SCHEMBL29923896 0.76 ALDH1A1 (0.55) KMT2AALDH1A1MEN1HTTEGLN1
SCHEMBL6573464 0.74 KDM4E (0.65) KMT2AALDH1A1MEN1CASP7CASP6
SCHEMBL24915857 0.74 LMNA (0.39) CASP7CASP6NSD2CYP1A2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP disclosed